5,6,7,8-tetrahydroquinoline-2,3-dione

C9H9NO2 — CID 66599949

IUPAC5,6,7,8-tetrahydroquinoline-2,3-dione
SMILESO=C1C=C2CCCCC2=NC1=O
InChIInChI=1S/C9H9NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h5H,1-4H2
InChIKeyFKUYDSKBHPLMAB-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.04
Rot. Bonds

About 5,6,7,8-tetrahydroquinoline-2,3-dione

5,6,7,8-tetrahydroquinoline-2,3-dione (PubChem CID 66599949) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroquinoline-2,3-dione.

Molecular Properties

Compound Name5,6,7,8-tetrahydroquinoline-2,3-dione
PubChem CID66599949
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name5,6,7,8-tetrahydroquinoline-2,3-dione
SMILESO=C1C=C2CCCCC2=NC1=O
InChIInChI=1S/C9H9NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h5H,1-4H2
InChIKeyFKUYDSKBHPLMAB-UHFFFAOYSA-N
XLogP1.04
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroquinoline-2,3-dione?
The IUPAC name of 5,6,7,8-tetrahydroquinoline-2,3-dione (CID 66599949) is 5,6,7,8-tetrahydroquinoline-2,3-dione.
What is the SMILES notation for 5,6,7,8-tetrahydroquinoline-2,3-dione?
The canonical SMILES for 5,6,7,8-tetrahydroquinoline-2,3-dione is O=C1C=C2CCCCC2=NC1=O.
What is the InChIKey of 5,6,7,8-tetrahydroquinoline-2,3-dione?
The InChIKey is FKUYDSKBHPLMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h5H,1-4H2.
What are the key properties of 5,6,7,8-tetrahydroquinoline-2,3-dione?
5,6,7,8-tetrahydroquinoline-2,3-dione has a molecular weight of 163.18 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroquinoline-2,3-dione is sourced from PubChem (CID 66599949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).